5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide

C20H23N7O — CID 55872567

IUPAC5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC3CCN(c4ncccn4)CC3)c2C)cc1
InChIInChI=1S/C20H23N7O/c1-14-4-6-17(7-5-14)27-15(2)18(24-25-27)19(28)23-16-8-12-26(13-9-16)20-21-10-3-11-22-20/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,23,28)
InChIKeyJFSISDIYPZLOFM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.07
Rot. Bonds4

About 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide

5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 55872567) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID55872567
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC3CCN(c4ncccn4)CC3)c2C)cc1
InChIInChI=1S/C20H23N7O/c1-14-4-6-17(7-5-14)27-15(2)18(24-25-27)19(28)23-16-8-12-26(13-9-16)20-21-10-3-11-22-20/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,23,28)
InChIKeyJFSISDIYPZLOFM-UHFFFAOYSA-N
XLogP2.07
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
CID 119388737
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
5-methyl-1-(3-nitrophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide
CID 55803031
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705431
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 55721141
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705512

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide (CID 55872567) is 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NC3CCN(c4ncccn4)CC3)c2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is JFSISDIYPZLOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14-4-6-17(7-5-14)27-15(2)18(24-25-27)19(28)23-16-8-12-26(13-9-16)20-21-10-3-11-22-20/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide?
5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 55872567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).